2-chloro-N-methylpentane-1,5-diamine

C6H15ClN2 — CID 163782242

IUPAC2-chloro-N-methylpentane-1,5-diamine
SMILESCNCC(Cl)CCCN
InChIInChI=1S/C6H15ClN2/c1-9-5-6(7)3-2-4-8/h6,9H,2-5,8H2,1H3
InChIKeyMPNJLNYCEWDIBH-UHFFFAOYSA-N
MW150.65 g/mol
LogP0.55
Rot. Bonds5

About 2-chloro-N-methylpentane-1,5-diamine

2-chloro-N-methylpentane-1,5-diamine (PubChem CID 163782242) has the molecular formula C6H15ClN2 and a molecular weight of 150.65 g/mol. Its IUPAC name is 2-chloro-N-methylpentane-1,5-diamine.

Molecular Properties

Compound Name2-chloro-N-methylpentane-1,5-diamine
PubChem CID163782242
Molecular FormulaC6H15ClN2
Molecular Weight150.65 g/mol
Exact Mass150.09
IUPAC Name2-chloro-N-methylpentane-1,5-diamine
SMILESCNCC(Cl)CCCN
InChIInChI=1S/C6H15ClN2/c1-9-5-6(7)3-2-4-8/h6,9H,2-5,8H2,1H3
InChIKeyMPNJLNYCEWDIBH-UHFFFAOYSA-N
XLogP0.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.65
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N,2-dimethylhexane-1,6-diamine
CID 167243609
2-chloro-N,4,4-trimethylpentan-1-amine
CID 107155762
4-N,5-dimethylhexane-1,4-diamine
CID 116949244
(2S)-5-amino-N-[2-hydroxy-3-(methylamino)propyl]-2-(methylamino)pentanamide
CID 59839920
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
diamino-(6-amino-3-chlorohexyl)-ethenylazanium
CID 57289996
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893
methyl 5-amino-2-(chloromethylamino)pentanoate
CID 18177484
azane;4-chloropentan-1-amine;2-methylheptadecane;hydrochloride
CID 173206707
(2R)-3-N-methylpropane-1,2,3-triamine
CID 155906228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylpentane-1,5-diamine?
The IUPAC name of 2-chloro-N-methylpentane-1,5-diamine (CID 163782242) is 2-chloro-N-methylpentane-1,5-diamine.
What is the SMILES notation for 2-chloro-N-methylpentane-1,5-diamine?
The canonical SMILES for 2-chloro-N-methylpentane-1,5-diamine is CNCC(Cl)CCCN.
What is the InChIKey of 2-chloro-N-methylpentane-1,5-diamine?
The InChIKey is MPNJLNYCEWDIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClN2/c1-9-5-6(7)3-2-4-8/h6,9H,2-5,8H2,1H3.
What are the key properties of 2-chloro-N-methylpentane-1,5-diamine?
2-chloro-N-methylpentane-1,5-diamine has a molecular weight of 150.65 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylpentane-1,5-diamine is sourced from PubChem (CID 163782242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).